N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine

C7H14ClNO — CID 107899576

IUPACN-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC/C=C/Cl
InChIInChI=1S/C7H14ClNO/c1-7(6-10-2)9-5-3-4-8/h3-4,7,9H,5-6H2,1-2H3/b4-3+
InChIKeyLOJNXAJNVQYSLA-ONEGZZNKSA-N
MW163.65 g/mol
LogP1.36
Rot. Bonds5

About N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine

N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine (PubChem CID 107899576) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine
PubChem CID107899576
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC/C=C/Cl
InChIInChI=1S/C7H14ClNO/c1-7(6-10-2)9-5-3-4-8/h3-4,7,9H,5-6H2,1-2H3/b4-3+
InChIKeyLOJNXAJNVQYSLA-ONEGZZNKSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol
CID 106190608
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
(2R)-1-(1-methoxypropan-2-ylamino)propan-2-ol
CID 103906714
(E)-3-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 107900160
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 28571144
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
N-[(2S)-1-methoxypropan-2-yl]formamide
CID 87302736
2-[[(E)-3-chloroprop-2-enyl]amino]propane-1,3-diol
CID 107900017
N-(1-methoxypropan-2-yl)nonan-1-amine
CID 43129186
N-(1-methoxypropan-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62574091

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine (CID 107899576) is N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine is COCC(C)NC/C=C/Cl.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine?
The InChIKey is LOJNXAJNVQYSLA-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-7(6-10-2)9-5-3-4-8/h3-4,7,9H,5-6H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine?
N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine has a molecular weight of 163.65 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 107899576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).